Research workbench
Structure of enantioselective mutant of epoxide hydrolase from aspergillus niger generated by directed evolution
Analyse Structure of enantioselective mutant of epoxide hydrolase from aspergillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G02
- Type
- protein
- Length
- 767 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epoxide hydrolase
- EC
- 3.3.2.9
- UniProt
- Q9UR30
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epoxide hydrolase (EC 3.3.2.9) | protein | 387 | 46% helix, 15% strand | Q9UR30 |
| B | Epoxide hydrolase (EC 3.3.2.9) | protein | 380 | 47% helix, 15% strand | Q9UR30 |
Ligands and binding sites
- FMT · Formic acid · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.71 | 0.99 | 19 | empty |
| 2 | 194 | 0.51 | 0.77 | 25 | empty |
| 3 | 139 | 0.46 | 0.77 | 19 | empty |
| 4 | 60 | 0.44 | 0.82 | 10 | empty |
| 5 | 59 | 0.42 | 0.82 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2449 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 3G02 · Structure of enantioselective mutant of epoxide hydrolase from Aspergillus niger… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9UR30
- Elsewhere: RCSB PDB 3G02 · PDBe 3G02 · UniProt Q9UR30
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